RRx-001

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
RRx-001
Accession Number
DB12060
Type
Small Molecule
Groups
Investigational
Description

RRx-001 has been used in trials studying the treatment of Lymphomas, Brain Metastases, Cholangiocarcinoma, Colorectal Neoplasms, and Malignant Solid Tumor, among others.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
7RPW6SU9SC
CAS number
925206-65-1
Weight
Average: 268.023
Monoisotopic: 266.949083
Chemical Formula
C5H6BrN3O5
InChI Key
JODKFOVZURLVTG-UHFFFAOYSA-N
InChI
InChI=1S/C5H6BrN3O5/c6-1-4(10)7-2-5(3-7,8(11)12)9(13)14/h1-3H2
IUPAC Name
2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one
SMILES
[O-][N+](=O)C1(CN(C1)C(=O)CBr)[N+]([O-])=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
15950826
PubChem Substance
347828369
ChemSpider
13092644
ChEMBL
CHEMBL3526802

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentCancer, Advanced / Malignant Solid Tumours / Metastatic Cancers1
1Active Not RecruitingTreatmentMalignant Lymphomas / Malignant Solid Tumours1
1Active Not RecruitingTreatmentMetastatic Brain Tumors1
1CompletedTreatmentMalignant Lymphomas / Malignant Solid Tumours1
1TerminatedTreatmentMalignant Lymphomas / Malignant Solid Tumours1
2Active Not RecruitingTreatmentCholangiocarcinomas1
2Active Not RecruitingTreatmentNeoplasms, Colorectal1
2RecruitingSupportive CareOral Mucositis1
2RecruitingTreatmentCarcinoma, Small Cell / Lung Cancer Non-Small Cell Cancer (NSCLC) / Neuroendocrine Tumors / Ovarian Epithelial Cancer / Small Cell Lung Carcinoma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.473 mg/mLALOGPS
logP0.92ALOGPS
logP0.24ChemAxon
logS-2.8ALOGPS
pKa (Strongest Basic)-5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area106.59 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity44.1 m3·mol-1ChemAxon
Polarizability18.33 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Carboxylic acid derivatives
Direct Parent
Tertiary carboxylic acid amides
Alternative Parents
C-nitro compounds / Azetidines / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Azacyclic compounds / Organonitrogen compounds / Organobromides / Organic salts / Organic oxides / Hydrocarbon derivatives
show 3 more
Substituents
Tertiary carboxylic acid amide / Azetidine / C-nitro compound / Organic nitro compound / Organic oxoazanium / Azacycle / Organoheterocyclic compound / Allyl-type 1,3-dipolar organic compound / Organic 1,3-dipolar compound / Propargyl-type 1,3-dipolar organic compound
show 14 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:17 / Updated on June 04, 2019 07:31